3-iodo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
Formula:C18H13N2OI
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-iodo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-iodo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide |
| MolecularFormula | C18H13N2OI |
| Smiles | O=C(c1cccc(I)c1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C18H13IN2O/c19-16-9-4-7-14(11-16)18(22)21-20-12-15-8-3-6-13-5-1-2-10-17(13)15/h1-12H,(H,21,22) |
| InChIK | QDCRCUWYWACFSM-UHFFFAOYSA-N |
| TotalMolweight | 400.214 |
| Molweight | 400.214 |
| MonoisotopicMass | 400.007261 |
| CLogP | 4.8331 |
| CLogS | -6.343 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.87 |
| Relative PSA | 0.14528 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.9031 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
Click to Load Molecule:
1 - 3-iodo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide | 2 - 3-iodo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off